2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide

C27H29FN4O3 — CID 164609157

IUPAC2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cccc(OCC3CCN(Cc4ccc(F)cc4)CC3)c2)ccn1
InChIInChI=1S/C27H29FN4O3/c1-19(33)30-26-15-22(9-12-29-26)27(34)31-24-3-2-4-25(16-24)35-18-21-10-13-32(14-11-21)17-20-5-7-23(28)8-6-20/h2-9,12,15-16,21H,10-11,13-14,17-18H2,1H3,(H,31,34)(H,29,30,33)
InChIKeyCPGRXUMFALEFAR-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.72
Rot. Bonds8

About 2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide

2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide (PubChem CID 164609157) has the molecular formula C27H29FN4O3 and a molecular weight of 476.55 g/mol. Its IUPAC name is 2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide
PubChem CID164609157
Molecular FormulaC27H29FN4O3
Molecular Weight476.55 g/mol
Exact Mass476.22
IUPAC Name2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cccc(OCC3CCN(Cc4ccc(F)cc4)CC3)c2)ccn1
InChIInChI=1S/C27H29FN4O3/c1-19(33)30-26-15-22(9-12-29-26)27(34)31-24-3-2-4-25(16-24)35-18-21-10-13-32(14-11-21)17-20-5-7-23(28)8-6-20/h2-9,12,15-16,21H,10-11,13-14,17-18H2,1H3,(H,31,34)(H,29,30,33)
InChIKeyCPGRXUMFALEFAR-UHFFFAOYSA-N
XLogP4.72
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide (CID 164609157) is 2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)Nc2cccc(OCC3CCN(Cc4ccc(F)cc4)CC3)c2)ccn1.
What is the InChIKey of 2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide?
The InChIKey is CPGRXUMFALEFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O3/c1-19(33)30-26-15-22(9-12-29-26)27(34)31-24-3-2-4-25(16-24)35-18-21-10-13-32(14-11-21)17-20-5-7-23(28)8-6-20/h2-9,12,15-16,21H,10-11,13-14,17-18H2,1H3,(H,31,34)(H,29,30,33).
What are the key properties of 2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide?
2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide has a molecular weight of 476.55 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 164609157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).